1-[2,4-bis(fluoranyl)phenyl]carbonyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]piperidine-4-carboxamide

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]carbonyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]piperidine-4-carboxamide Openeye Name: 1-(2,4-difluorobenzoyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]piperidine-4-carboxamide CAS Name: 1-[(2,4-difluorophenyl)-oxomethyl]-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,4-difluorobenzoyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]piperidine-4-carboxamide Traditional Name: 1-(2,4-difluorobenzoyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]isonipecotamide Formula: C23H28F2N3O2S+ MolecularWeight: 448.549126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)F)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)F)C4=CC=CS4

InChI

InChI=1S/C23H27F2N3O2S/c24-17-5-6-18(19(25)14-17)23(30)28-11-7-16(8-12-28)22(29)26-15-20(21-4-3-13-31-21)27-9-1-2-10-27/h3-6,13-14,16,20H,1-2,7-12,15H2,(H,26,29)/p+1/t20-/m0/s1